A1PR3
Summary
| Name: | 1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one |
| Formula: | C10 H11 N5 O |
| Formal charge: | 0 |
| Formula weight: | 217.227 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1CCCN1Nc1ncnc2[NH]ccc12 |
| InChI | InChI | 1.06 | InChI=1S/C10H11N5O/c16-8-2-1-5-15(8)14-10-7-3-4-11-9(7)12-6-13-10/h3-4,6H,1-2,5H2,(H2,11,12,13,14) |
| InChIKey | InChI | 1.06 | UYPNVZPFEHFIMT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CCCN1Nc2ncnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | O=C1CCCN1Nc2ncnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)NN3CCCC3=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c[nH]c2c1c(ncn2)NN3CCCC3=O |
